Information card for entry 4312246

Structure parameters

• Formula: C40 H76 Ba O5 P2 Si4
• Calculated formula: C40 H76 Ba O5 P2 Si4
• SMILES: [Ba]12(P(c3ccccc3[O]1C)C([Si](C)(C)C)[Si](C)(C)C)(P(c1ccccc1[O]2C)C([Si](C)(C)C)[Si](C)(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Complexes of the Heavier Alkaline Earth Metals Ca, Sr, and Ba with O-Functionalized Phosphanide Ligands
• Authors of publication: Stuart Blair; Keith Izod; William Clegg; Ross W. Harrington
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8526 - 8531
• a: 14.0099 ± 0.0005 Å
• b: 18.5854 ± 0.0007 Å
• c: 20.2378 ± 0.0008 Å
• α: 90°
• β: 103.401 ± 0.002°
• γ: 90°
• Cell volume: 5126 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No